3RI9

Xylanase C from Aspergillus kawachii F131W mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-18B
Synchrotron site	Photon Factory
Beamline	BL-18B
Temperature [K]	293
Detector technology	CCD
Collection date	2001-05-26
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	62.159, 62.159, 113.536
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.980 - 2.000
R-factor	0.16602
Rwork	0.164
R-free	0.21161
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1bk1
RMSD bond length	0.025
RMSD bond angle	2.070
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.280	2.110
High resolution limit [Å]	2.000	2.000
Number of reflections	15716
<I/σ(I)>	9.3	2.8
Completeness [%]	99.9	99.7
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	1.5M sodium sulfate, 0.1M HEPES-NaOH, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K